6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide

C20H30N6O2 — CID 170596020

IUPAC6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(CCN3CCOCC3)CC2)c2ccc(N)cc21
InChIInChI=1S/C20H30N6O2/c1-24-18-14-15(21)2-3-17(18)19(23-24)20(27)22-16-4-6-25(7-5-16)8-9-26-10-12-28-13-11-26/h2-3,14,16H,4-13,21H2,1H3,(H,22,27)
InChIKeyAHDLZIAQMUGASV-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.68
Rot. Bonds5

About 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide

6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide (PubChem CID 170596020) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide
PubChem CID170596020
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(CCN3CCOCC3)CC2)c2ccc(N)cc21
InChIInChI=1S/C20H30N6O2/c1-24-18-14-15(21)2-3-17(18)19(23-24)20(27)22-16-4-6-25(7-5-16)8-9-26-10-12-28-13-11-26/h2-3,14,16H,4-13,21H2,1H3,(H,22,27)
InChIKeyAHDLZIAQMUGASV-UHFFFAOYSA-N
XLogP0.68
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide?
The IUPAC name of 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide (CID 170596020) is 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide.
What is the SMILES notation for 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide?
The canonical SMILES for 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide is Cn1nc(C(=O)NC2CCN(CCN3CCOCC3)CC2)c2ccc(N)cc21.
What is the InChIKey of 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide?
The InChIKey is AHDLZIAQMUGASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-24-18-14-15(21)2-3-17(18)19(23-24)20(27)22-16-4-6-25(7-5-16)8-9-26-10-12-28-13-11-26/h2-3,14,16H,4-13,21H2,1H3,(H,22,27).
What are the key properties of 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide?
6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-N-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]indazole-3-carboxamide is sourced from PubChem (CID 170596020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).